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Chemical ID: 7416886
Chemical ID:
7416886
Name [?]:
N-cyclohexyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILES [?]:
c1ccc2c(c1)CC(NC2)C(=O)NC3CCCCC3
InChi [?]:
InChI=1/C16H22N2O/c19-16(18-14-8-2-1-3-9-14)15-10-12-6-4-5-7-13(12)11-17-15/h4-7,14-15,17H,1-3,8-11H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:17,16,18,1,2,6,3,15,19,7,10,5,4,14,8,11,9,13,12/E:(2,3)(8,9)/rA:19cCCCCCCCCNCCONCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s4s9;s8;d11;s11;s13;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H22N2O |
All Atoms: | 41 |
Heavy Atoms: | 19 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.95419 |
Area: | 453.508 |
Solvation: | -2.38352 |
Coulombic: | -31.3651 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.48 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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